N'-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoyl]cyclohexanecarbohydrazide

Systemtic Name: N'-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoyl]cyclohexanecarbohydrazide Openeye Name: N'-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]cyclohexanecarbohydrazide CAS Name: N'-[1-oxo-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]ethyl]cyclohexanecarbohydrazide IUPAC Name: N'-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]cyclohexanecarbohydrazide Traditional Name: N'-[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetyl]cyclohexanecarbohydrazide Formula: C20H22N6O2S MolecularWeight: 410.49268

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NNC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)C(=O)NNC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C20H22N6O2S/c27-17(24-25-19(28)14-7-3-1-4-8-14)12-29-20-16-11-23-26(18(16)21-13-22-20)15-9-5-2-6-10-15/h2,5-6,9-11,13-14H,1,3-4,7-8,12H2,(H,24,27)(H,25,28)